[[5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

CAS: 43170-89-4

Molecular Formula	`C11H18N5O13P3S`
Molecular Weight	553.28 g/mol
LogP	-4.9
Topological Polar Surface Area	304.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	18
Rotatable Bonds	9
Exact Mass	552.98346
Heavy Atoms	33
Complexity	853.0

Chemical Identifiers

CAS Number	43170-89-4
SMILES	`CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N`
InChIKey	`XNOBOKJVOTYSJV-UHFFFAOYSA-N`

📖 Product Overview

[[5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CAS: 43170-89-4) is a chemical compound with molecular formula C11H18N5O13P3S and molecular weight 553.28 g/mol. Its IUPAC systematic name is [[5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate. LogP -4.9 Topological Polar Surface Area 304.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 18 Rotatable Bonds 9 Exact Mass 552.98346 Heavy Atoms 33 Complexity 853.0 InChI Key: XNOBOKJVOTYSJV-UHFFFAOYSA-N. SMILES: CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [[5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

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